3-cyclohexyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]propanamide

C19H27N5O2 — CID 121079010

IUPAC3-cyclohexyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]propanamide
SMILESCn1c(-c2cccnc2)nn(CCNC(=O)CCC2CCCCC2)c1=O
InChIInChI=1S/C19H27N5O2/c1-23-18(16-8-5-11-20-14-16)22-24(19(23)26)13-12-21-17(25)10-9-15-6-3-2-4-7-15/h5,8,11,14-15H,2-4,6-7,9-10,12-13H2,1H3,(H,21,25)
InChIKeyHKRBLAHXKYWPNU-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.12
Rot. Bonds7

About 3-cyclohexyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]propanamide

3-cyclohexyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]propanamide (PubChem CID 121079010) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 3-cyclohexyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]propanamide
PubChem CID121079010
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name3-cyclohexyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]propanamide
SMILESCn1c(-c2cccnc2)nn(CCNC(=O)CCC2CCCCC2)c1=O
InChIInChI=1S/C19H27N5O2/c1-23-18(16-8-5-11-20-14-16)22-24(19(23)26)13-12-21-17(25)10-9-15-6-3-2-4-7-15/h5,8,11,14-15H,2-4,6-7,9-10,12-13H2,1H3,(H,21,25)
InChIKeyHKRBLAHXKYWPNU-UHFFFAOYSA-N
XLogP2.12
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]propanamide (CID 121079010) is 3-cyclohexyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]propanamide is Cn1c(-c2cccnc2)nn(CCNC(=O)CCC2CCCCC2)c1=O.
What is the InChIKey of 3-cyclohexyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]propanamide?
The InChIKey is HKRBLAHXKYWPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-23-18(16-8-5-11-20-14-16)22-24(19(23)26)13-12-21-17(25)10-9-15-6-3-2-4-7-15/h5,8,11,14-15H,2-4,6-7,9-10,12-13H2,1H3,(H,21,25).
What are the key properties of 3-cyclohexyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]propanamide?
3-cyclohexyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]propanamide has a molecular weight of 357.46 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[2-(4-methyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 121079010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).